5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine

C14H15BrClN3 — CID 104822847

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)cn1
InChIInChI=1S/C14H15BrClN3/c1-8-5-6-9(7-17-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3
InChIKeyUTMGLXMZHJGNLZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.56
Rot. Bonds1

About 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 104822847) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID104822847
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)cn1
InChIInChI=1S/C14H15BrClN3/c1-8-5-6-9(7-17-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3
InChIKeyUTMGLXMZHJGNLZ-UHFFFAOYSA-N
XLogP4.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-tert-butyl-6-chloro-2-pyridin-3-ylpyrimidine
CID 66292564
5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
CID 66295020
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992
4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
CID 104822835
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
5-bromo-4-tert-butyl-6-chloro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 66292360
4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine (CID 104822847) is 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine is Cc1ccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)cn1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is UTMGLXMZHJGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-8-5-6-9(7-17-8)13-18-11(14(2,3)4)10(15)12(16)19-13/h5-7H,1-4H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 340.65 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 104822847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).